3259-0066 Screening compound: 2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile

3259-0066 Screening compound: 2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile
3259-0066 Screening compound: 2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3259-0066
2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3259-0066

Molecular Formula

C20H16N4O (C20 H16 N4 O)

Compound Name

2-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile

IUPAC name

2-[(3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]propanedinitrile

SMILES

CC(C(C(C(C#N)C#N)c1ccccc1)C1=O)=NN1c1ccccc1

InChI

InChI=1S/C20H16N4O/c1-14-18(20(25)24(23-14)17-10-6-3-7-11-17)19(16(12-21)13-22)15-8-4-2-5-9-15/h2-11,16,18-19H,1H3

InChI Key

IBBUNMDCCDIBFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.428

Distribution Coefficient, logD

-5.494

Water Solubility, LogSw

-2.61

Polar Surface Area

59.699

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

3259-0066 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3259-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3259-0066?
Check Price and Availability of 3259-0066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3259-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3259-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3259-0066
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3259-0066 available by request